(NE)-N-[3-(ethylamino)-3-methylbutan-2-ylidene]hydroxylamine

C7H16N2O — CID 55286368

IUPAC(NE)-N-[3-(ethylamino)-3-methylbutan-2-ylidene]hydroxylamine
SMILESCCNC(C)(C)/C(C)=N/O
InChIInChI=1S/C7H16N2O/c1-5-8-7(3,4)6(2)9-10/h8,10H,5H2,1-4H3/b9-6+
InChIKeyKXLNFBXLXMBSMT-RMKNXTFCSA-N
MW144.22 g/mol
LogP1.22
Rot. Bonds3

About (NE)-N-[3-(ethylamino)-3-methylbutan-2-ylidene]hydroxylamine

(NE)-N-[3-(ethylamino)-3-methylbutan-2-ylidene]hydroxylamine (PubChem CID 55286368) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is (NE)-N-[3-(ethylamino)-3-methylbutan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-(ethylamino)-3-methylbutan-2-ylidene]hydroxylamine
PubChem CID55286368
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name(NE)-N-[3-(ethylamino)-3-methylbutan-2-ylidene]hydroxylamine
SMILESCCNC(C)(C)/C(C)=N/O
InChIInChI=1S/C7H16N2O/c1-5-8-7(3,4)6(2)9-10/h8,10H,5H2,1-4H3/b9-6+
InChIKeyKXLNFBXLXMBSMT-RMKNXTFCSA-N
XLogP1.22
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[3-(ethylamino)-3-methylbutan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-(ethylamino)-3-methylbutan-2-ylidene]hydroxylamine (CID 55286368) is (NE)-N-[3-(ethylamino)-3-methylbutan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-(ethylamino)-3-methylbutan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-(ethylamino)-3-methylbutan-2-ylidene]hydroxylamine is CCNC(C)(C)/C(C)=N/O.
What is the InChIKey of (NE)-N-[3-(ethylamino)-3-methylbutan-2-ylidene]hydroxylamine?
The InChIKey is KXLNFBXLXMBSMT-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H16N2O/c1-5-8-7(3,4)6(2)9-10/h8,10H,5H2,1-4H3/b9-6+.
What are the key properties of (NE)-N-[3-(ethylamino)-3-methylbutan-2-ylidene]hydroxylamine?
(NE)-N-[3-(ethylamino)-3-methylbutan-2-ylidene]hydroxylamine has a molecular weight of 144.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-(ethylamino)-3-methylbutan-2-ylidene]hydroxylamine is sourced from PubChem (CID 55286368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).